sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate

C19H19FNNaO3 — CID 135770209

IUPACsodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
SMILESO=C([O-])CCCCC/N=C(\c1ccccc1)c1cc(F)ccc1O.[Na+]
InChIInChI=1S/C19H20FNO3.Na/c20-15-10-11-17(22)16(13-15)19(14-7-3-1-4-8-14)21-12-6-2-5-9-18(23)24;/h1,3-4,7-8,10-11,13,22H,2,5-6,9,12H2,(H,23,24);/q;+1/p-1/b21-19+;
InChIKeyZUOVEYPPPSWFGS-UXJRWBAGSA-M
MW351.35 g/mol
LogP-0.32
Rot. Bonds8

About sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate

sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate (PubChem CID 135770209) has the molecular formula C19H19FNNaO3 and a molecular weight of 351.35 g/mol. Its IUPAC name is sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate.

Molecular Properties

Compound Namesodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
PubChem CID135770209
Molecular FormulaC19H19FNNaO3
Molecular Weight351.35 g/mol
Exact Mass351.12
IUPAC Namesodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
SMILESO=C([O-])CCCCC/N=C(\c1ccccc1)c1cc(F)ccc1O.[Na+]
InChIInChI=1S/C19H20FNO3.Na/c20-15-10-11-17(22)16(13-15)19(14-7-3-1-4-8-14)21-12-6-2-5-9-18(23)24;/h1,3-4,7-8,10-11,13,22H,2,5-6,9,12H2,(H,23,24);/q;+1/p-1/b21-19+;
InChIKeyZUOVEYPPPSWFGS-UXJRWBAGSA-M
XLogP-0.32
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
The IUPAC name of sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate (CID 135770209) is sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate.
What is the SMILES notation for sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
The canonical SMILES for sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate is O=C([O-])CCCCC/N=C(\c1ccccc1)c1cc(F)ccc1O.[Na+].
What is the InChIKey of sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
The InChIKey is ZUOVEYPPPSWFGS-UXJRWBAGSA-M. The full InChI is InChI=1S/C19H20FNO3.Na/c20-15-10-11-17(22)16(13-15)19(14-7-3-1-4-8-14)21-12-6-2-5-9-18(23)24;/h1,3-4,7-8,10-11,13,22H,2,5-6,9,12H2,(H,23,24);/q;+1/p-1/b21-19+;.
What are the key properties of sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate has a molecular weight of 351.35 g/mol, XLogP of -0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate is sourced from PubChem (CID 135770209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).